N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

C17H21BrN2 — CID 63503457

IUPACN-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(C)CCNc2ccccc2Br)c1
InChIInChI=1S/C17H21BrN2/c1-14-6-5-7-15(12-14)13-20(2)11-10-19-17-9-4-3-8-16(17)18/h3-9,12,19H,10-11,13H2,1-2H3
InChIKeySLSGWKHPOAGTDE-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.30
Rot. Bonds6

About N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 63503457) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID63503457
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC NameN-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(C)CCNc2ccccc2Br)c1
InChIInChI=1S/C17H21BrN2/c1-14-6-5-7-15(12-14)13-20(2)11-10-19-17-9-4-3-8-16(17)18/h3-9,12,19H,10-11,13H2,1-2H3
InChIKeySLSGWKHPOAGTDE-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 63503615
N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 55089307
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61411868
N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560557
N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62555090
N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 55070888
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
CID 62613615
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517
N'-[(4-bromophenyl)methyl]-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63502076
N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62575788

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (CID 63503457) is N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is Cc1cccc(CN(C)CCNc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is SLSGWKHPOAGTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-14-6-5-7-15(12-14)13-20(2)11-10-19-17-9-4-3-8-16(17)18/h3-9,12,19H,10-11,13H2,1-2H3.
What are the key properties of N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 333.27 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63503457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).